Chemical Engineering February 2023 - 9

Harvesting hydrogen from humid air
C
hemical engineers from the Swiss
Federal Institute of Technology
Lausanne (EPFL; www.epfl.ch),
in collaboration with scientists
from Toyota Motor Europe (Zaventem,
Belgium; www.toyota-europe.com), have
invented a photoelectrochemical (PEC)
" artificial leaf " that splits water vapor into
H2. The technology features a gas-diffusion
electrode that has three essential
properties: It is transparent, enabling light
to pass through; it is porous, enabling
the transport of both reactant and product
gases; and it is electrically conductive,
enabling electron-transfer to occur. Up to
now, most PECs, which couple semiconductor-based
solar-proton harvesting with
electrochemical transformations, require
liquid-based electrolytes that are typically
corrosive strong acids or bases.
Inspired by polymer-electrolyte membrane
(PEM) flow cells, which use a
solid electrolyte membrane and gasphase
input and output, the scientists
developed a gas-phase PEM-PEC device.
Key to the innovation is the optical
transparency of the porous-conductive
substrate. Most gas-diffusion electrodes
are made out of carbon cloth or metal
mesh or felt, which limits the harvesting
of light and prevents transmittance
of photons to the photoelectrode, the
researchers report in a recent issue of
Advanced Materials.
To address this drawback, a substrate
was made from commercially available
fused quartz fibers (SiO2 wool). The fibrous
material was processed into an interconnected
felt by sintering at 1,350°C, which
fused the interconnections into a rigid,
transparent porous substrate (TPS). This
was then made electrically conductive by
coating with fluorine-doped tin oxide (FTO)
via atmospheric chemical-vapor deposition.
The wafer was then coated with a
thin-film of sunlight-absorbing semiconductor
materials. Finally, a cell was constructed
using the coated wafer and a
membrane for separating the H2 product.
This proof-of-concept prototype, based
on the materials used, has a modest maximum
theoretical solar-to-hydrogen conversion
efficiency of the coated wafer of
12%, compared to 19% demonstrated for
liquid cells. Now, the researchers are focusing
their efforts on optimizing the system,
as part of the E.U. Sun-to-X project
(www.sun-to-x.eu).
Quantum-based tool searches quadrillions of
materials to optimize catalysts
F
or the first time, a quantum-computing-inspired
tool has been
used for catalyst discovery -
specifically for the investigation of
a new catalyst for the production of hydrogen
via electrolysis. Created jointly by
scientists from Fujitsu Ltd. (Tokyo; www.
fujitsu.com) and the University of Toronto
(www.utoronto.ca), the Digital Annealer
platform is designed to solve combinatorial
optimization problems that require
determining an optimized configuration
from a large set of possible options. " In
our project, we used it to identify catalysts
with optimal properties for greenhydrogen
production. It works by encoding
the problem into a set of binary
variables and using
quantum-inspired
algorithms to search for the optimal solution, "
explains researcher Jehad Abed.
To evaluate potential catalyst candidates,
the Digital Annealer can look at
many properties, including catalytic activity
selectivity and stability. " Our goal was
to identify catalysts that are not immediately
apparent using traditional methods,
such as heuristic searches or other
machine-learning approaches, " adds
Abed. Using the " cluster expansion " technique,
the team estimated that they used
the Digital Annealer to analyze potential
catalyst-material designs in the range of
hundreds of quadrillions. This analysis led
them to a potential catalyst-material family
that is believed to be previously unexplored,
comprising ruthenium, chromium,
manganese, antimony and oxygen. The
team synthesized samples of the discovered
compounds and found that one of
the candidates demonstrated a mass activity
around eight times higher than other
electrolysis catalysts, and also showed
promising operation in acidic conditions.
The team is planning to expand the
tool's breadth for various catalyst applications
" We have open-sourced the code
to enable wider adoption of our method.
With the introduction of newer computing
architecture, paradigms and search
algorithms, we believe this approach can
prove to be a useful tool to compare catalyst
efficiencies and accelerate materials
discovery, " says University of Toronto researcher
Hitarth Choubisa.
CHEMICAL ENGINEERING WWW.CHEMENGONLINE.COM
FEBRUARY 2023
Laboratory-scale studies have
demonstrated that Tex-TCat
can process a variety of common
textile materials that are
incinerated or landfilled today
- including cotton, polyester,
nylon, elastane, acrylic and
polyurethane, as well as blends
of these and other commonly
used textile materials.
The next steps include optimizing
the feedstock preparation
for efficient reactor
feeding, as well as additional
laboratory studies that will lead
to long-term trials in Anellotech's
500-kg process demonstration
plant. The company
is currently seeking partners to
accelerate the development
and commercialization of the
technology. The vision is to operate
at scale with the first plant
able to process about 200,000
metric tons (m.t.) per year, and
subsequent plants as large as
1 million m.t./yr, depending on
feedstock availability.
SHAPE MATTERS
Cube-shaped cobalt oxide
nanoparticles are more efficient
electrocatalysts for water
splitting than spherical ones.
This is the conclusion of a
recent study, published in Advanced
Functional Materials,
by the group of professor Kristina
Tschulik at Ruhr University
Bochum (Germany; www.rub.
de), in collaboration with researchers
from the University
of Duisburg-Essen (Duisburg,
Germany; www.uni-due.de).
The researchers developed
a way to directly analyze individual
particles in solution. This
enables them to compare the
activity of different nanomaterials
with each other in order to
understand the influence of
particle properties (shape and
composition) on water splitting.
The Bochum group's experimental
findings were confirmed
by
theoretical
calculations
n
(using density-functional theory)
performed by its cooperation
partners headed by professor
Rossitza Pentcheva at the
University of Duisburg-Essen.
The latter's theoretical analyses
indicate a change in the active
catalyst regions (Co atoms),
which are surrounded by oxygen
atoms forming an octahedron,
to Co atoms that are
surrounded by a tetrahedron. ❒
9
http://www.epfl.ch http://www.toyota-europe.com http://www.sun-to-x.eu http://www.rub.de http://www.uni-due.de http://www.fujitsu.com http://www.fujitsu.com http://www.utoronto.ca http://WWW.CHEMENGONLINE.COM

Chemical Engineering February 2023

Table of Contents for the Digital Edition of Chemical Engineering February 2023

Chemical Engineering February 2023 - Cover1
Chemical Engineering February 2023 - Cover2
Chemical Engineering February 2023 - 1
Chemical Engineering February 2023 - 2
Chemical Engineering February 2023 - 3
Chemical Engineering February 2023 - 4
Chemical Engineering February 2023 - 5
Chemical Engineering February 2023 - 6
Chemical Engineering February 2023 - 7
Chemical Engineering February 2023 - 8
Chemical Engineering February 2023 - 9
Chemical Engineering February 2023 - 10
Chemical Engineering February 2023 - 11
Chemical Engineering February 2023 - 12
Chemical Engineering February 2023 - 13
Chemical Engineering February 2023 - 14
Chemical Engineering February 2023 - 15
Chemical Engineering February 2023 - 16
Chemical Engineering February 2023 - 17
Chemical Engineering February 2023 - 18
Chemical Engineering February 2023 - 19
Chemical Engineering February 2023 - 20
Chemical Engineering February 2023 - 21
Chemical Engineering February 2023 - 22
Chemical Engineering February 2023 - 23
Chemical Engineering February 2023 - 24
Chemical Engineering February 2023 - 25
Chemical Engineering February 2023 - 26
Chemical Engineering February 2023 - 27
Chemical Engineering February 2023 - 28
Chemical Engineering February 2023 - 29
Chemical Engineering February 2023 - 30
Chemical Engineering February 2023 - 31
Chemical Engineering February 2023 - 32
Chemical Engineering February 2023 - 33
Chemical Engineering February 2023 - 34
Chemical Engineering February 2023 - 35
Chemical Engineering February 2023 - 36
Chemical Engineering February 2023 - 37
Chemical Engineering February 2023 - 38
Chemical Engineering February 2023 - 39
Chemical Engineering February 2023 - 40
Chemical Engineering February 2023 - 41
Chemical Engineering February 2023 - 42
Chemical Engineering February 2023 - 43
Chemical Engineering February 2023 - 44
Chemical Engineering February 2023 - 45
Chemical Engineering February 2023 - 46
Chemical Engineering February 2023 - 47
Chemical Engineering February 2023 - 48
Chemical Engineering February 2023 - Cover3
Chemical Engineering February 2023 - Cover4
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